REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2o2b_1_A DATA FIRST_RESID 995 DATA SEQUENCE GIDPFTVSKG EELFTGVVPI LVELDGDVNG HKFSVSGEGE GDATYGKLTL DATA SEQUENCE KFICTTGKLP VPWPTLVTTL XXXVQCFSRY PDHMKQHDFF KSAMPEGYVQ DATA SEQUENCE ERTIFFKDDG NYKTRAEVKF EGDTLVNRIE LKGIDFKEDG NILGHKLEYN DATA SEQUENCE YNSHNVYIMA DKQKNGIKVN FKIRHNIEDG SVQLADHYQQ NTPIGDGPVL DATA SEQUENCE LPDNHYLSYQ SALSKDPNEK RDHMVLLEFV TAAGIT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 995 G HA2 0.000 nan 3.960 nan 0.000 0.244 995 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 995 G C 0.000 174.891 174.900 -0.015 0.000 0.946 995 G CA 0.000 45.093 45.100 -0.011 0.000 0.502 996 I N -1.667 118.889 120.570 -0.024 0.000 3.449 996 I HA 0.691 4.860 4.170 -0.002 0.000 0.294 996 I C -0.716 175.374 176.117 -0.046 0.000 1.163 996 I CA -0.984 60.300 61.300 -0.026 0.000 1.010 996 I CB 1.624 39.611 38.000 -0.022 0.000 1.307 996 I HN 0.305 nan 8.210 nan 0.000 0.518 997 D N 2.912 123.287 120.400 -0.042 0.000 2.383 997 D HA 0.216 4.855 4.640 -0.002 0.000 0.252 997 D C -2.177 174.060 176.300 -0.105 0.000 1.166 997 D CA -1.920 52.038 54.000 -0.070 0.000 0.879 997 D CB 0.875 41.662 40.800 -0.022 0.000 1.164 997 D HN 0.311 nan 8.370 nan 0.000 0.462 998 P HA 0.235 nan 4.420 nan 0.000 0.223 998 P C -1.071 175.804 177.300 -0.709 0.000 1.878 998 P CA -0.568 62.368 63.100 -0.273 0.000 1.038 998 P CB -0.824 30.731 31.700 -0.241 0.000 1.774 999 F N -0.357 119.582 119.950 -0.019 0.000 2.411 999 F HA 0.498 5.023 4.527 -0.002 0.000 0.355 999 F C 0.736 176.518 175.800 -0.029 0.000 1.117 999 F CA -0.564 57.421 58.000 -0.024 0.000 1.139 999 F CB 0.879 39.865 39.000 -0.023 0.000 1.120 999 F HN -0.196 nan 8.300 nan 0.000 0.493 1000 T N 3.241 117.849 114.554 0.090 0.000 2.963 1000 T HA 0.198 4.547 4.350 -0.002 0.000 0.328 1000 T C 1.107 175.817 174.700 0.017 0.000 1.048 1000 T CA -0.574 61.548 62.100 0.036 0.000 1.033 1000 T CB 1.330 70.191 68.868 -0.012 0.000 1.010 1000 T HN 0.476 nan 8.240 nan 0.000 0.469 1001 V N 2.241 122.164 119.914 0.014 0.000 2.280 1001 V HA -0.202 3.916 4.120 -0.002 0.000 0.258 1001 V C 1.311 177.381 176.094 -0.040 0.000 1.081 1001 V CA 1.664 63.957 62.300 -0.012 0.000 1.070 1001 V CB -0.401 31.401 31.823 -0.036 0.000 0.666 1001 V HN 0.767 nan 8.190 nan 0.000 0.450 1002 S N -0.409 115.243 115.700 -0.080 0.000 2.521 1002 S HA 0.613 5.082 4.470 -0.002 0.000 0.295 1002 S C -0.516 174.019 174.600 -0.108 0.000 1.098 1002 S CA -0.890 57.246 58.200 -0.106 0.000 0.999 1002 S CB 1.717 64.812 63.200 -0.176 0.000 1.034 1002 S HN 0.633 nan 8.310 nan 0.000 0.483 1003 K N 1.222 121.581 120.400 -0.070 0.000 2.426 1003 K HA 0.729 5.047 4.320 -0.002 0.000 0.251 1003 K C 0.789 177.383 176.600 -0.010 0.000 0.941 1003 K CA -0.401 55.857 56.287 -0.047 0.000 0.808 1003 K CB 1.256 33.738 32.500 -0.031 0.000 1.265 1003 K HN 0.720 nan 8.250 nan 0.000 0.432 1004 G N 3.497 112.312 108.800 0.024 0.000 2.699 1004 G HA2 -0.541 3.418 3.960 -0.002 0.000 0.347 1004 G HA3 -0.541 3.418 3.960 -0.002 0.000 0.347 1004 G C 1.002 176.012 174.900 0.183 0.000 1.225 1004 G CA 1.590 46.741 45.100 0.085 0.000 0.973 1004 G HN 1.026 nan 8.290 nan 0.000 0.551 1005 E N 0.978 121.241 120.200 0.105 0.000 2.160 1005 E HA -0.061 4.287 4.350 -0.002 0.000 0.195 1005 E C 2.093 178.798 176.600 0.175 0.000 0.991 1005 E CA 2.234 58.717 56.400 0.138 0.000 0.810 1005 E CB -0.532 29.185 29.700 0.028 0.000 0.742 1005 E HN 0.782 nan 8.360 nan 0.000 0.466 1006 E N 0.375 120.619 120.200 0.072 0.000 2.204 1006 E HA -0.091 4.258 4.350 -0.002 0.000 0.195 1006 E C 1.947 178.523 176.600 -0.039 0.000 0.990 1006 E CA 1.045 57.453 56.400 0.013 0.000 0.821 1006 E CB -0.176 29.508 29.700 -0.026 0.000 0.750 1006 E HN 0.359 nan 8.360 nan 0.000 0.477 1007 L N -0.398 120.759 121.223 -0.109 0.000 2.362 1007 L HA -0.077 4.261 4.340 -0.002 0.000 0.219 1007 L C 0.997 177.595 176.870 -0.453 0.000 1.134 1007 L CA 0.654 55.242 54.840 -0.420 0.000 0.807 1007 L CB 0.059 41.641 42.059 -0.795 0.000 0.927 1007 L HN 0.112 nan 8.230 nan 0.000 0.447 1008 F N -1.847 118.125 119.950 0.037 0.000 2.654 1008 F HA 0.069 4.594 4.527 -0.004 0.000 0.303 1008 F C 2.165 178.013 175.800 0.081 0.000 1.099 1008 F CA 0.108 58.162 58.000 0.089 0.000 1.270 1008 F CB -0.385 38.635 39.000 0.033 0.000 1.024 1008 F HN -0.020 nan 8.300 nan 0.000 0.548 1009 T N -2.603 112.044 114.554 0.156 0.000 2.962 1009 T HA 0.186 4.534 4.350 -0.002 0.000 0.270 1009 T C 1.246 176.015 174.700 0.115 0.000 1.088 1009 T CA 0.901 63.066 62.100 0.109 0.000 1.127 1009 T CB -0.240 68.663 68.868 0.058 0.000 0.883 1009 T HN 0.221 nan 8.240 nan 0.000 0.493 1010 G N 0.355 109.230 108.800 0.125 0.000 3.209 1010 G HA2 0.562 4.520 3.960 -0.002 0.000 0.236 1010 G HA3 0.562 4.520 3.960 -0.002 0.000 0.236 1010 G C -1.137 173.871 174.900 0.180 0.000 1.329 1010 G CA -0.787 44.394 45.100 0.135 0.000 1.015 1010 G HN 0.202 nan 8.290 nan 0.000 0.571 1011 V N 0.373 120.375 119.914 0.146 0.000 2.508 1011 V HA 0.353 4.472 4.120 -0.002 0.000 0.281 1011 V C -0.091 176.081 176.094 0.132 0.000 1.041 1011 V CA -0.217 62.164 62.300 0.135 0.000 1.016 1011 V CB 0.903 32.774 31.823 0.080 0.000 0.984 1011 V HN 0.364 nan 8.190 nan 0.000 0.478 1012 V N 8.021 128.044 119.914 0.181 0.000 2.448 1012 V HA 0.400 4.518 4.120 -0.002 0.000 0.295 1012 V C -2.322 173.832 176.094 0.101 0.000 1.025 1012 V CA -2.082 60.343 62.300 0.209 0.000 0.859 1012 V CB 2.056 34.138 31.823 0.431 0.000 0.988 1012 V HN 0.722 nan 8.190 nan 0.000 0.431 1013 P HA 0.367 nan 4.420 nan 0.000 0.271 1013 P C -0.787 176.516 177.300 0.005 0.000 1.216 1013 P CA 0.083 63.188 63.100 0.008 0.000 0.776 1013 P CB 0.652 32.363 31.700 0.019 0.000 0.881 1014 I N 2.612 123.145 120.570 -0.062 0.000 2.509 1014 I HA 0.439 4.608 4.170 -0.002 0.000 0.293 1014 I C -0.544 175.541 176.117 -0.052 0.000 1.020 1014 I CA -0.962 60.305 61.300 -0.054 0.000 1.088 1014 I CB 1.931 39.851 38.000 -0.133 0.000 1.267 1014 I HN 0.141 nan 8.210 nan 0.000 0.430 1015 L N 7.480 128.693 121.223 -0.016 0.000 2.381 1015 L HA 0.669 5.008 4.340 -0.002 0.000 0.274 1015 L C -1.250 175.644 176.870 0.039 0.000 0.988 1015 L CA -0.424 54.413 54.840 -0.005 0.000 0.824 1015 L CB 1.893 43.952 42.059 -0.000 0.000 1.263 1015 L HN 0.305 nan 8.230 nan 0.000 0.410 1016 V N 4.297 124.257 119.914 0.077 0.000 2.487 1016 V HA 0.652 4.770 4.120 -0.002 0.000 0.298 1016 V C -0.763 175.423 176.094 0.154 0.000 1.028 1016 V CA -0.615 61.781 62.300 0.160 0.000 0.860 1016 V CB 1.705 33.735 31.823 0.345 0.000 0.991 1016 V HN 0.698 nan 8.190 nan 0.000 0.427 1017 E N 4.751 125.023 120.200 0.119 0.000 2.224 1017 E HA 0.556 4.904 4.350 -0.002 0.000 0.265 1017 E C -1.231 175.416 176.600 0.079 0.000 0.878 1017 E CA -0.480 55.978 56.400 0.098 0.000 0.759 1017 E CB 3.199 32.935 29.700 0.059 0.000 1.164 1017 E HN 0.619 nan 8.360 nan 0.000 0.414 1018 L N 2.506 123.775 121.223 0.076 0.000 2.381 1018 L HA 0.490 4.829 4.340 -0.002 0.000 0.274 1018 L C -1.364 175.469 176.870 -0.063 0.000 0.988 1018 L CA -0.602 54.249 54.840 0.018 0.000 0.824 1018 L CB 1.524 43.614 42.059 0.052 0.000 1.263 1018 L HN 0.234 nan 8.230 nan 0.000 0.410 1019 D N 3.794 124.111 120.400 -0.138 0.000 2.278 1019 D HA 0.683 5.322 4.640 -0.002 0.000 0.245 1019 D C -0.310 175.739 176.300 -0.419 0.000 1.052 1019 D CA -0.025 53.824 54.000 -0.251 0.000 0.834 1019 D CB 2.280 42.984 40.800 -0.160 0.000 1.194 1019 D HN 0.743 nan 8.370 nan 0.000 0.481 1020 G N 0.378 108.692 108.800 -0.810 0.000 2.574 1020 G HA2 0.496 4.455 3.960 -0.002 0.000 0.299 1020 G HA3 0.496 4.455 3.960 -0.002 0.000 0.299 1020 G C -1.527 172.921 174.900 -0.753 0.000 1.298 1020 G CA -0.502 44.003 45.100 -0.991 0.000 0.952 1020 G HN 0.297 nan 8.290 nan 0.000 0.477 1021 D N 0.318 120.496 120.400 -0.369 0.000 2.478 1021 D HA 0.364 5.002 4.640 -0.002 0.000 0.240 1021 D C -1.218 175.091 176.300 0.015 0.000 1.364 1021 D CA -0.239 53.689 54.000 -0.120 0.000 0.987 1021 D CB 1.869 42.615 40.800 -0.090 0.000 1.328 1021 D HN 0.175 nan 8.370 nan 0.000 0.584 1022 V N 4.594 124.592 119.914 0.139 0.000 2.350 1022 V HA 0.296 4.414 4.120 -0.002 0.000 0.285 1022 V C 0.356 176.565 176.094 0.191 0.000 1.014 1022 V CA -0.789 61.592 62.300 0.136 0.000 0.831 1022 V CB 0.982 32.812 31.823 0.011 0.000 1.000 1022 V HN 0.649 nan 8.190 nan 0.000 0.433 1023 N N 4.175 122.994 118.700 0.198 0.000 2.721 1023 N HA -0.225 4.514 4.740 -0.002 0.000 0.249 1023 N C 1.228 176.758 175.510 0.032 0.000 1.072 1023 N CA 1.794 54.944 53.050 0.168 0.000 0.710 1023 N CB -1.032 37.600 38.487 0.243 0.000 0.993 1023 N HN 1.420 nan 8.380 nan 0.000 0.547 1024 G N -1.854 106.947 108.800 0.003 0.000 2.205 1024 G HA2 -0.339 3.620 3.960 -0.002 0.000 0.261 1024 G HA3 -0.339 3.620 3.960 -0.002 0.000 0.261 1024 G C -0.233 174.574 174.900 -0.156 0.000 0.980 1024 G CA 0.395 45.439 45.100 -0.094 0.000 0.632 1024 G HN 0.689 nan 8.290 nan 0.000 0.533 1025 H N 1.610 120.704 119.070 0.040 0.000 2.934 1025 H HA 0.315 4.870 4.556 -0.002 0.000 0.273 1025 H C 0.559 175.966 175.328 0.133 0.000 1.121 1025 H CA 0.255 56.342 56.048 0.064 0.000 1.451 1025 H CB 0.496 30.280 29.762 0.036 0.000 1.469 1025 H HN 0.339 nan 8.280 nan 0.000 0.476 1026 K N 3.696 124.192 120.400 0.160 0.000 2.118 1026 K HA 0.413 4.732 4.320 -0.002 0.000 0.267 1026 K C -0.387 176.322 176.600 0.182 0.000 0.991 1026 K CA -0.434 55.894 56.287 0.069 0.000 0.916 1026 K CB 1.218 33.711 32.500 -0.011 0.000 1.041 1026 K HN 0.433 nan 8.250 nan 0.000 0.455 1027 F N -2.515 117.410 119.950 -0.041 0.000 2.719 1027 F HA 0.517 5.043 4.527 -0.002 0.000 0.309 1027 F C -1.182 174.592 175.800 -0.043 0.000 1.138 1027 F CA -0.977 56.994 58.000 -0.049 0.000 0.943 1027 F CB 1.331 40.276 39.000 -0.091 0.000 1.304 1027 F HN 0.245 nan 8.300 nan 0.000 0.445 1028 S N 0.895 116.667 115.700 0.119 0.000 2.548 1028 S HA 0.869 5.338 4.470 -0.002 0.000 0.286 1028 S C -1.441 173.283 174.600 0.207 0.000 1.098 1028 S CA -0.761 57.477 58.200 0.062 0.000 0.930 1028 S CB 2.226 65.445 63.200 0.033 0.000 1.070 1028 S HN 0.642 nan 8.310 nan 0.000 0.480 1029 V N 2.418 122.451 119.914 0.198 0.000 2.709 1029 V HA 0.711 4.830 4.120 -0.002 0.000 0.308 1029 V C -0.410 175.837 176.094 0.255 0.000 1.062 1029 V CA -0.733 61.739 62.300 0.287 0.000 0.901 1029 V CB 2.128 34.162 31.823 0.353 0.000 1.003 1029 V HN 0.988 nan 8.190 nan 0.000 0.425 1030 S N 2.397 118.257 115.700 0.268 0.000 2.568 1030 S HA 0.967 5.436 4.470 -0.002 0.000 0.302 1030 S C -0.217 174.527 174.600 0.241 0.000 1.082 1030 S CA -0.384 57.943 58.200 0.212 0.000 1.009 1030 S CB 2.148 65.421 63.200 0.120 0.000 1.069 1030 S HN 1.291 nan 8.310 nan 0.000 0.500 1031 G N 0.461 109.343 108.800 0.136 0.000 2.667 1031 G HA2 0.665 4.624 3.960 -0.002 0.000 0.298 1031 G HA3 0.665 4.624 3.960 -0.002 0.000 0.298 1031 G C -1.732 173.029 174.900 -0.231 0.000 1.377 1031 G CA -0.839 44.137 45.100 -0.207 0.000 0.964 1031 G HN 0.724 nan 8.290 nan 0.000 0.493 1032 E N -0.307 119.683 120.200 -0.349 0.000 2.343 1032 E HA 0.685 5.034 4.350 -0.002 0.000 0.278 1032 E C -0.050 176.390 176.600 -0.267 0.000 0.910 1032 E CA -0.718 55.546 56.400 -0.227 0.000 0.757 1032 E CB 2.696 32.312 29.700 -0.139 0.000 1.218 1032 E HN 0.995 nan 8.360 nan 0.000 0.435 1033 G N 1.627 110.303 108.800 -0.206 0.000 2.498 1033 G HA2 0.315 4.274 3.960 -0.002 0.000 0.181 1033 G HA3 0.315 4.274 3.960 -0.002 0.000 0.181 1033 G C -1.608 173.187 174.900 -0.176 0.000 1.169 1033 G CA -0.500 44.484 45.100 -0.194 0.000 0.992 1033 G HN 0.588 nan 8.290 nan 0.000 0.490 1034 E N -1.305 118.769 120.200 -0.211 0.000 2.412 1034 E HA 0.615 4.963 4.350 -0.002 0.000 0.279 1034 E C -0.570 175.810 176.600 -0.367 0.000 0.984 1034 E CA -0.904 55.358 56.400 -0.230 0.000 0.788 1034 E CB 1.869 31.496 29.700 -0.122 0.000 1.277 1034 E HN 1.190 nan 8.360 nan 0.000 0.455 1035 G N 0.300 108.794 108.800 -0.511 0.000 2.524 1035 G HA2 0.472 4.431 3.960 -0.002 0.000 0.310 1035 G HA3 0.472 4.431 3.960 -0.002 0.000 0.310 1035 G C -1.541 173.335 174.900 -0.040 0.000 1.279 1035 G CA -0.477 44.230 45.100 -0.655 0.000 0.974 1035 G HN 0.430 nan 8.290 nan 0.000 0.484 1036 D N 1.322 121.796 120.400 0.123 0.000 2.378 1036 D HA 0.452 5.091 4.640 -0.002 0.000 0.265 1036 D C 1.227 177.730 176.300 0.338 0.000 1.229 1036 D CA -0.101 54.072 54.000 0.289 0.000 0.914 1036 D CB 1.224 42.191 40.800 0.278 0.000 1.140 1036 D HN 0.363 nan 8.370 nan 0.000 0.516 1037 A N 1.954 125.025 122.820 0.419 0.000 1.978 1037 A HA -0.160 4.159 4.320 -0.002 0.000 0.220 1037 A C 2.028 179.676 177.584 0.105 0.000 1.170 1037 A CA 1.729 53.939 52.037 0.289 0.000 0.636 1037 A CB -0.449 18.706 19.000 0.258 0.000 0.810 1037 A HN 0.520 nan 8.150 nan 0.000 0.448 1038 T N -1.165 113.398 114.554 0.015 0.000 2.760 1038 T HA -0.205 4.144 4.350 -0.002 0.000 0.269 1038 T C 1.061 175.442 174.700 -0.531 0.000 1.047 1038 T CA 2.036 63.944 62.100 -0.321 0.000 1.139 1038 T CB -0.429 68.132 68.868 -0.513 0.000 0.855 1038 T HN 0.704 nan 8.240 nan 0.000 0.471 1039 Y N -0.363 120.008 120.300 0.119 0.000 2.531 1039 Y HA 0.464 5.013 4.550 -0.001 0.000 0.249 1039 Y C 1.714 177.707 175.900 0.155 0.000 1.168 1039 Y CA -0.567 57.610 58.100 0.128 0.000 1.226 1039 Y CB 0.016 38.566 38.460 0.151 0.000 1.177 1039 Y HN 0.220 nan 8.280 nan 0.000 0.527 1040 G N 1.422 110.336 108.800 0.190 0.000 2.225 1040 G HA2 -0.360 3.599 3.960 -0.002 0.000 0.267 1040 G HA3 -0.360 3.599 3.960 -0.002 0.000 0.267 1040 G C 0.160 175.119 174.900 0.099 0.000 1.024 1040 G CA 0.469 45.648 45.100 0.132 0.000 0.784 1040 G HN 0.374 nan 8.290 nan 0.000 0.507 1041 K N -0.147 120.304 120.400 0.086 0.000 2.213 1041 K HA 0.723 5.042 4.320 -0.002 0.000 0.270 1041 K C -0.033 176.418 176.600 -0.248 0.000 1.002 1041 K CA -0.851 55.314 56.287 -0.203 0.000 0.868 1041 K CB 0.559 33.024 32.500 -0.059 0.000 1.093 1041 K HN 0.163 nan 8.250 nan 0.000 0.454 1042 L N 3.568 124.564 121.223 -0.379 0.000 2.362 1042 L HA 0.449 4.788 4.340 -0.002 0.000 0.275 1042 L C -0.579 176.112 176.870 -0.299 0.000 0.998 1042 L CA -0.854 53.797 54.840 -0.314 0.000 0.820 1042 L CB 2.244 44.170 42.059 -0.222 0.000 1.270 1042 L HN 0.763 nan 8.230 nan 0.000 0.415 1043 T N 1.534 115.940 114.554 -0.247 0.000 2.847 1043 T HA 0.782 5.131 4.350 -0.002 0.000 0.291 1043 T C -0.753 173.827 174.700 -0.199 0.000 0.998 1043 T CA -0.599 61.384 62.100 -0.195 0.000 0.967 1043 T CB 1.110 69.881 68.868 -0.161 0.000 0.954 1043 T HN 0.314 nan 8.240 nan 0.000 0.441 1044 L N 2.084 123.191 121.223 -0.193 0.000 2.445 1044 L HA 0.659 4.998 4.340 -0.002 0.000 0.262 1044 L C -0.511 176.143 176.870 -0.359 0.000 0.974 1044 L CA -0.929 53.709 54.840 -0.338 0.000 0.822 1044 L CB 2.817 44.630 42.059 -0.409 0.000 1.339 1044 L HN 0.622 nan 8.230 nan 0.000 0.409 1045 K N 2.151 122.263 120.400 -0.478 0.000 2.376 1045 K HA 0.636 4.955 4.320 -0.002 0.000 0.257 1045 K C -1.735 174.556 176.600 -0.516 0.000 0.939 1045 K CA -0.407 55.675 56.287 -0.341 0.000 0.809 1045 K CB 1.124 33.518 32.500 -0.176 0.000 1.121 1045 K HN 0.321 nan 8.250 nan 0.000 0.425 1046 F N 4.330 124.244 119.950 -0.059 0.000 2.480 1046 F HA 0.528 5.054 4.527 -0.003 0.000 0.329 1046 F C 0.074 175.886 175.800 0.019 0.000 1.091 1046 F CA -0.842 57.161 58.000 0.005 0.000 0.972 1046 F CB 1.452 40.483 39.000 0.053 0.000 1.150 1046 F HN 0.238 nan 8.300 nan 0.000 0.467 1047 I N 2.188 122.970 120.570 0.352 0.000 2.498 1047 I HA 0.228 4.396 4.170 -0.002 0.000 0.290 1047 I C -0.945 175.451 176.117 0.466 0.000 1.032 1047 I CA -0.719 60.787 61.300 0.343 0.000 1.073 1047 I CB 1.894 40.002 38.000 0.180 0.000 1.251 1047 I HN 0.584 nan 8.210 nan 0.000 0.426 1048 C N 5.235 124.854 119.300 0.531 0.000 2.540 1048 C HA 0.169 4.627 4.460 -0.002 0.000 0.377 1048 C C 1.834 176.957 174.990 0.222 0.000 1.274 1048 C CA -0.029 59.191 59.018 0.336 0.000 1.718 1048 C CB -0.797 27.077 27.740 0.223 0.000 2.391 1048 C HN 0.958 nan 8.230 nan 0.000 0.565 1049 T N 0.778 115.442 114.554 0.183 0.000 3.113 1049 T HA -0.045 4.304 4.350 -0.002 0.000 0.256 1049 T C 1.178 175.937 174.700 0.099 0.000 1.131 1049 T CA 1.161 63.337 62.100 0.127 0.000 1.074 1049 T CB -0.339 68.594 68.868 0.107 0.000 0.944 1049 T HN 0.833 nan 8.240 nan 0.000 0.516 1050 T N -2.422 112.198 114.554 0.109 0.000 3.054 1050 T HA 0.634 4.982 4.350 -0.002 0.000 0.255 1050 T C 1.280 176.025 174.700 0.075 0.000 1.035 1050 T CA 0.142 62.295 62.100 0.087 0.000 0.941 1050 T CB 0.375 69.305 68.868 0.102 0.000 1.026 1050 T HN 0.779 nan 8.240 nan 0.000 0.533 1051 G N 1.564 110.411 108.800 0.078 0.000 2.254 1051 G HA2 -0.014 3.944 3.960 -0.002 0.000 0.193 1051 G HA3 -0.014 3.944 3.960 -0.002 0.000 0.193 1051 G C -1.270 173.661 174.900 0.051 0.000 1.233 1051 G CA -0.555 44.580 45.100 0.058 0.000 1.290 1051 G HN 0.489 nan 8.290 nan 0.000 0.517 1052 K N 0.617 121.025 120.400 0.013 0.000 2.249 1052 K HA 0.548 4.867 4.320 -0.002 0.000 0.280 1052 K C -0.378 176.160 176.600 -0.104 0.000 1.033 1052 K CA -0.646 55.622 56.287 -0.031 0.000 0.946 1052 K CB 1.151 33.614 32.500 -0.061 0.000 1.005 1052 K HN 0.482 nan 8.250 nan 0.000 0.469 1053 L N 7.397 128.498 121.223 -0.205 0.000 2.360 1053 L HA 0.186 4.524 4.340 -0.002 0.000 0.276 1053 L C -1.813 174.808 176.870 -0.415 0.000 1.121 1053 L CA -1.216 53.334 54.840 -0.484 0.000 0.845 1053 L CB 0.971 42.501 42.059 -0.881 0.000 1.143 1053 L HN 0.599 nan 8.230 nan 0.000 0.452 1054 P HA 0.047 nan 4.420 nan 0.000 0.257 1054 P C -0.548 176.441 177.300 -0.518 0.000 1.281 1054 P CA 0.340 63.221 63.100 -0.365 0.000 0.826 1054 P CB 0.146 31.650 31.700 -0.325 0.000 1.237 1055 V N -4.931 114.594 119.914 -0.649 0.000 3.102 1055 V HA 0.720 4.839 4.120 -0.002 0.000 0.312 1055 V C -3.208 172.575 176.094 -0.519 0.000 1.135 1055 V CA -3.375 58.525 62.300 -0.667 0.000 1.022 1055 V CB 1.501 32.975 31.823 -0.580 0.000 1.056 1055 V HN -0.345 nan 8.190 nan 0.000 0.436 1056 P HA 0.208 nan 4.420 nan 0.000 0.271 1056 P C -0.075 177.150 177.300 -0.126 0.000 1.216 1056 P CA 0.191 63.193 63.100 -0.164 0.000 0.771 1056 P CB 0.396 32.029 31.700 -0.111 0.000 0.864 1057 W N 4.378 125.699 121.300 0.034 0.000 2.304 1057 W HA -0.173 4.485 4.660 -0.003 0.000 0.315 1057 W C -0.631 175.924 176.519 0.060 0.000 1.233 1057 W CA 1.675 59.057 57.345 0.063 0.000 1.261 1057 W CB -2.553 27.033 29.460 0.209 0.000 1.150 1057 W HN 0.542 nan 8.180 nan 0.000 0.494 1058 P HA -0.181 nan 4.420 nan 0.000 0.221 1058 P C 1.541 179.013 177.300 0.287 0.000 1.145 1058 P CA 2.619 65.910 63.100 0.318 0.000 0.795 1058 P CB -0.542 31.337 31.700 0.299 0.000 0.775 1059 T N -3.935 110.661 114.554 0.070 0.000 3.072 1059 T HA -0.001 4.348 4.350 -0.002 0.000 0.266 1059 T C 1.436 176.396 174.700 0.433 0.000 1.127 1059 T CA 0.749 62.979 62.100 0.216 0.000 1.107 1059 T CB -0.907 68.017 68.868 0.093 0.000 0.910 1059 T HN 0.085 nan 8.240 nan 0.000 0.513 1060 L N 0.262 121.641 121.223 0.259 0.000 2.616 1060 L HA 0.256 4.595 4.340 -0.002 0.000 0.229 1060 L C 2.449 179.393 176.870 0.123 0.000 1.110 1060 L CA -0.125 54.823 54.840 0.180 0.000 0.884 1060 L CB -0.066 42.022 42.059 0.047 0.000 1.115 1060 L HN 0.118 nan 8.230 nan 0.000 0.481 1061 V N 0.575 120.572 119.914 0.138 0.000 2.287 1061 V HA -0.313 3.805 4.120 -0.002 0.000 0.248 1061 V C 2.789 178.890 176.094 0.012 0.000 1.053 1061 V CA 2.745 65.022 62.300 -0.037 0.000 1.027 1061 V CB -0.899 30.767 31.823 -0.260 0.000 0.646 1061 V HN 0.669 nan 8.190 nan 0.000 0.447 1062 T N -3.260 111.394 114.554 0.166 0.000 2.867 1062 T HA -0.185 4.164 4.350 -0.002 0.000 0.268 1062 T C 1.754 176.575 174.700 0.200 0.000 1.057 1062 T CA 1.909 64.115 62.100 0.177 0.000 1.136 1062 T CB -0.596 68.470 68.868 0.330 0.000 0.874 1062 T HN 0.457 nan 8.240 nan 0.000 0.466 1063 T N 1.970 116.650 114.554 0.211 0.000 2.770 1063 T HA 0.252 4.601 4.350 -0.002 0.000 0.263 1063 T C 1.004 175.770 174.700 0.110 0.000 1.039 1063 T CA 0.434 62.637 62.100 0.172 0.000 1.142 1063 T CB -0.412 68.548 68.868 0.154 0.000 0.868 1063 T HN 0.294 nan 8.240 nan 0.000 0.435 1069 Q N 0.384 120.179 119.800 -0.008 0.000 2.488 1069 Q HA -0.060 4.279 4.340 -0.002 0.000 0.211 1069 Q C 2.086 177.818 176.000 -0.447 0.000 0.967 1069 Q CA 1.578 57.140 55.803 -0.402 0.000 0.926 1069 Q CB 0.036 28.144 28.738 -1.050 0.000 0.992 1069 Q HN 1.122 nan 8.270 nan 0.000 0.506 1070 C N -1.377 117.818 119.300 -0.175 0.000 2.422 1070 C HA -0.026 4.432 4.460 -0.002 0.000 0.286 1070 C C 1.623 176.218 174.990 -0.657 0.000 1.412 1070 C CA -0.221 58.579 59.018 -0.363 0.000 1.786 1070 C CB -1.380 26.118 27.740 -0.403 0.000 1.835 1070 C HN 0.261 nan 8.230 nan 0.000 0.533 1071 F N 2.224 122.103 119.950 -0.119 0.000 2.773 1071 F HA 0.201 4.727 4.527 -0.001 0.000 0.304 1071 F C 1.505 177.267 175.800 -0.064 0.000 1.129 1071 F CA -0.046 57.925 58.000 -0.048 0.000 1.378 1071 F CB -0.519 38.500 39.000 0.032 0.000 1.095 1071 F HN 0.040 nan 8.300 nan 0.000 0.565 1072 S N 0.994 116.700 115.700 0.010 0.000 2.560 1072 S HA 0.061 4.530 4.470 -0.002 0.000 0.284 1072 S C 0.510 175.132 174.600 0.037 0.000 1.327 1072 S CA -0.592 57.589 58.200 -0.031 0.000 1.055 1072 S CB 0.537 63.709 63.200 -0.047 0.000 0.868 1072 S HN 0.297 nan 8.310 nan 0.000 0.506 1073 R N 2.187 122.661 120.500 -0.043 0.000 2.242 1073 R HA 0.153 4.492 4.340 -0.002 0.000 0.334 1073 R C -1.500 174.733 176.300 -0.112 0.000 1.071 1073 R CA -0.171 55.912 56.100 -0.027 0.000 0.922 1073 R CB 0.049 30.326 30.300 -0.038 0.000 1.023 1073 R HN 0.581 nan 8.270 nan 0.000 0.458 1074 Y N 6.555 126.805 120.300 -0.084 0.000 2.350 1074 Y HA 0.274 4.823 4.550 -0.001 0.000 0.340 1074 Y C -1.720 174.098 175.900 -0.137 0.000 1.006 1074 Y CA -2.243 55.793 58.100 -0.107 0.000 1.166 1074 Y CB 1.222 39.628 38.460 -0.089 0.000 1.168 1074 Y HN 0.604 nan 8.280 nan 0.000 0.502 1075 P HA -0.073 nan 4.420 nan 0.000 0.268 1075 P C 0.437 177.657 177.300 -0.134 0.000 1.208 1075 P CA 0.279 63.286 63.100 -0.155 0.000 0.777 1075 P CB 0.852 32.351 31.700 -0.336 0.000 0.875 1076 D N 1.277 121.651 120.400 -0.043 0.000 2.116 1076 D HA -0.270 4.369 4.640 -0.002 0.000 0.193 1076 D C 1.514 177.817 176.300 0.005 0.000 0.998 1076 D CA 1.381 55.380 54.000 -0.001 0.000 0.836 1076 D CB -0.263 40.560 40.800 0.039 0.000 0.951 1076 D HN 0.585 nan 8.370 nan 0.000 0.449 1077 H N -0.688 118.401 119.070 0.033 0.000 2.561 1077 H HA -0.003 4.551 4.556 -0.003 0.000 0.278 1077 H C 1.115 176.492 175.328 0.081 0.000 1.014 1077 H CA 0.641 56.713 56.048 0.040 0.000 1.211 1077 H CB -0.245 29.535 29.762 0.030 0.000 1.365 1077 H HN 0.340 nan 8.280 nan 0.000 0.594 1078 M N 0.095 119.553 119.600 -0.235 0.000 2.306 1078 M HA 0.128 4.607 4.480 -0.002 0.000 0.292 1078 M C 1.153 177.501 176.300 0.080 0.000 1.018 1078 M CA -0.303 55.004 55.300 0.010 0.000 1.007 1078 M CB 0.725 33.253 32.600 -0.121 0.000 1.510 1078 M HN -0.119 nan 8.290 nan 0.000 0.537 1079 K N 1.497 121.886 120.400 -0.018 0.000 2.218 1079 K HA -0.162 4.156 4.320 -0.002 0.000 0.205 1079 K C 1.973 178.458 176.600 -0.191 0.000 1.046 1079 K CA 1.235 57.471 56.287 -0.085 0.000 0.933 1079 K CB -0.393 32.067 32.500 -0.068 0.000 0.728 1079 K HN 0.532 nan 8.250 nan 0.000 0.454 1080 Q N 0.036 119.689 119.800 -0.245 0.000 2.515 1080 Q HA -0.123 4.216 4.340 -0.002 0.000 0.212 1080 Q C 0.243 175.916 176.000 -0.545 0.000 0.970 1080 Q CA 1.188 56.761 55.803 -0.383 0.000 0.941 1080 Q CB -0.120 28.378 28.738 -0.400 0.000 0.998 1080 Q HN 0.472 nan 8.270 nan 0.000 0.518 1081 H N 0.080 119.034 119.070 -0.194 0.000 2.592 1081 H HA 0.192 4.748 4.556 -0.000 0.000 0.279 1081 H C -0.483 174.623 175.328 -0.370 0.000 1.089 1081 H CA -0.242 55.674 56.048 -0.220 0.000 1.150 1081 H CB 0.667 30.262 29.762 -0.279 0.000 1.575 1081 H HN 0.213 nan 8.280 nan 0.000 0.547 1082 D N 1.094 121.175 120.400 -0.532 0.000 2.522 1082 D HA -0.051 4.588 4.640 -0.002 0.000 0.218 1082 D C 1.090 177.146 176.300 -0.407 0.000 1.149 1082 D CA -0.515 52.974 54.000 -0.851 0.000 0.981 1082 D CB -0.460 39.739 40.800 -1.002 0.000 1.041 1082 D HN 0.089 nan 8.370 nan 0.000 0.518 1083 F N 2.916 122.585 119.950 -0.470 0.000 2.126 1083 F HA -0.197 4.328 4.527 -0.003 0.000 0.299 1083 F C 1.215 176.775 175.800 -0.401 0.000 1.096 1083 F CA 1.555 59.280 58.000 -0.459 0.000 1.255 1083 F CB -0.276 38.363 39.000 -0.602 0.000 0.997 1083 F HN 0.226 nan 8.300 nan 0.000 0.479 1084 F N 0.877 120.695 119.950 -0.219 0.000 2.102 1084 F HA -0.148 4.378 4.527 -0.001 0.000 0.298 1084 F C 2.397 178.073 175.800 -0.206 0.000 1.105 1084 F CA 1.673 59.531 58.000 -0.237 0.000 1.239 1084 F CB -0.813 38.159 39.000 -0.046 0.000 0.991 1084 F HN -0.150 nan 8.300 nan 0.000 0.474 1085 K N 0.249 120.570 120.400 -0.132 0.000 2.103 1085 K HA -0.111 4.208 4.320 -0.002 0.000 0.204 1085 K C 2.306 178.860 176.600 -0.077 0.000 1.052 1085 K CA 1.452 57.632 56.287 -0.177 0.000 0.945 1085 K CB -0.424 31.891 32.500 -0.308 0.000 0.722 1085 K HN 0.311 nan 8.250 nan 0.000 0.443 1086 S N 1.049 116.624 115.700 -0.208 0.000 2.419 1086 S HA -0.098 4.370 4.470 -0.002 0.000 0.233 1086 S C 2.114 176.606 174.600 -0.181 0.000 1.016 1086 S CA 0.996 59.082 58.200 -0.190 0.000 0.974 1086 S CB -0.159 62.903 63.200 -0.230 0.000 0.786 1086 S HN 0.268 nan 8.310 nan 0.000 0.492 1087 A N 1.033 123.690 122.820 -0.272 0.000 2.206 1087 A HA 0.362 4.681 4.320 -0.002 0.000 0.211 1087 A C 1.025 178.623 177.584 0.023 0.000 1.158 1087 A CA 0.300 52.243 52.037 -0.158 0.000 0.761 1087 A CB -0.373 18.500 19.000 -0.212 0.000 0.801 1087 A HN 0.504 nan 8.150 nan 0.000 0.473 1088 M N -0.201 119.456 119.600 0.095 0.000 2.342 1088 M HA 0.243 4.722 4.480 -0.002 0.000 0.332 1088 M C -1.700 174.664 176.300 0.108 0.000 1.166 1088 M CA -2.503 52.917 55.300 0.200 0.000 1.086 1088 M CB 0.456 33.325 32.600 0.448 0.000 1.541 1088 M HN -0.057 nan 8.290 nan 0.000 0.462 1089 P HA -0.017 nan 4.420 nan 0.000 0.231 1089 P C 0.450 177.847 177.300 0.161 0.000 1.168 1089 P CA 1.060 64.270 63.100 0.184 0.000 0.779 1089 P CB 0.246 31.968 31.700 0.036 0.000 0.844 1090 E N 0.371 120.623 120.200 0.086 0.000 2.160 1090 E HA 0.114 4.463 4.350 -0.002 0.000 0.195 1090 E C 1.400 178.033 176.600 0.055 0.000 0.991 1090 E CA 1.236 57.674 56.400 0.063 0.000 0.810 1090 E CB -0.749 28.978 29.700 0.045 0.000 0.742 1090 E HN 0.340 nan 8.360 nan 0.000 0.466 1091 G N -0.504 108.331 108.800 0.057 0.000 2.582 1091 G HA2 -0.084 3.875 3.960 -0.002 0.000 0.222 1091 G HA3 -0.084 3.875 3.960 -0.002 0.000 0.222 1091 G C -1.106 173.840 174.900 0.077 0.000 1.311 1091 G CA -0.531 44.562 45.100 -0.012 0.000 0.915 1091 G HN 0.300 nan 8.290 nan 0.000 0.528 1092 Y N -3.055 117.307 120.300 0.103 0.000 2.588 1092 Y HA 0.773 5.321 4.550 -0.003 0.000 0.343 1092 Y C -0.135 175.864 175.900 0.165 0.000 1.065 1092 Y CA -1.591 56.607 58.100 0.163 0.000 1.038 1092 Y CB 1.116 39.738 38.460 0.271 0.000 1.297 1092 Y HN 0.741 nan 8.280 nan 0.000 0.467 1093 V N 2.560 122.710 119.914 0.393 0.000 2.439 1093 V HA 0.381 4.499 4.120 -0.002 0.000 0.282 1093 V C -0.480 175.854 176.094 0.399 0.000 1.039 1093 V CA -0.535 61.940 62.300 0.292 0.000 0.913 1093 V CB 1.226 33.163 31.823 0.189 0.000 0.983 1093 V HN 0.843 nan 8.190 nan 0.000 0.460 1094 Q N 3.507 123.523 119.800 0.359 0.000 2.333 1094 Q HA 0.516 4.855 4.340 -0.002 0.000 0.268 1094 Q C -0.989 175.143 176.000 0.219 0.000 1.007 1094 Q CA -0.512 55.494 55.803 0.338 0.000 0.810 1094 Q CB 1.758 30.759 28.738 0.438 0.000 1.264 1094 Q HN 0.814 nan 8.270 nan 0.000 0.452 1095 E N 3.142 123.448 120.200 0.177 0.000 2.222 1095 E HA 0.549 4.897 4.350 -0.002 0.000 0.267 1095 E C -1.034 175.640 176.600 0.125 0.000 0.884 1095 E CA -0.782 55.695 56.400 0.128 0.000 0.764 1095 E CB 2.030 31.788 29.700 0.097 0.000 1.169 1095 E HN 0.430 nan 8.360 nan 0.000 0.413 1096 R N 0.980 121.540 120.500 0.099 0.000 2.808 1096 R HA 0.552 4.890 4.340 -0.002 0.000 0.272 1096 R C -1.076 175.222 176.300 -0.004 0.000 0.995 1096 R CA -0.866 55.277 56.100 0.071 0.000 0.917 1096 R CB 2.438 32.792 30.300 0.092 0.000 1.217 1096 R HN 0.401 nan 8.270 nan 0.000 0.471 1097 T N 2.376 116.887 114.554 -0.071 0.000 2.840 1097 T HA 0.504 4.852 4.350 -0.002 0.000 0.287 1097 T C -0.148 174.318 174.700 -0.391 0.000 0.991 1097 T CA -0.517 61.428 62.100 -0.258 0.000 0.964 1097 T CB 0.968 69.611 68.868 -0.375 0.000 0.954 1097 T HN 0.320 nan 8.240 nan 0.000 0.438 1098 I N 3.564 123.839 120.570 -0.492 0.000 2.382 1098 I HA 0.391 4.560 4.170 -0.002 0.000 0.285 1098 I C -0.791 174.913 176.117 -0.689 0.000 1.007 1098 I CA -0.768 60.120 61.300 -0.685 0.000 1.142 1098 I CB 0.965 38.503 38.000 -0.770 0.000 1.289 1098 I HN 0.546 nan 8.210 nan 0.000 0.453 1099 F N 5.840 125.578 119.950 -0.353 0.000 2.421 1099 F HA 0.355 4.881 4.527 -0.002 0.000 0.358 1099 F C 0.003 175.575 175.800 -0.380 0.000 1.115 1099 F CA -0.316 57.533 58.000 -0.251 0.000 1.160 1099 F CB 0.477 39.405 39.000 -0.121 0.000 1.123 1099 F HN 0.251 nan 8.300 nan 0.000 0.508 1100 F N 3.190 123.117 119.950 -0.040 0.000 2.404 1100 F HA 0.243 4.769 4.527 -0.002 0.000 0.358 1100 F C 0.590 176.379 175.800 -0.019 0.000 1.120 1100 F CA -0.985 56.996 58.000 -0.033 0.000 1.144 1100 F CB 0.807 39.785 39.000 -0.037 0.000 1.133 1100 F HN 0.350 nan 8.300 nan 0.000 0.495 1101 K N 3.949 124.426 120.400 0.127 0.000 2.491 1101 K HA -0.084 4.235 4.320 -0.002 0.000 0.279 1101 K C 0.116 176.753 176.600 0.062 0.000 1.026 1101 K CA 0.432 56.757 56.287 0.063 0.000 1.070 1101 K CB 0.146 32.670 32.500 0.039 0.000 0.887 1101 K HN 0.714 nan 8.250 nan 0.000 0.481 1102 D N 1.925 122.338 120.400 0.022 0.000 2.911 1102 D HA -0.212 4.427 4.640 -0.002 0.000 0.227 1102 D C -0.452 175.851 176.300 0.006 0.000 1.164 1102 D CA 1.397 55.402 54.000 0.009 0.000 0.782 1102 D CB -0.494 40.315 40.800 0.015 0.000 1.094 1102 D HN 0.718 nan 8.370 nan 0.000 0.425 1103 D N -2.133 118.260 120.400 -0.012 0.000 3.236 1103 D HA 0.543 5.181 4.640 -0.002 0.000 0.325 1103 D C 0.600 176.714 176.300 -0.309 0.000 1.352 1103 D CA 0.287 54.233 54.000 -0.089 0.000 0.979 1103 D CB 0.514 41.319 40.800 0.009 0.000 1.410 1103 D HN 0.017 nan 8.370 nan 0.000 0.588 1104 G N -0.377 107.861 108.800 -0.937 0.000 2.525 1104 G HA2 0.463 4.421 3.960 -0.002 0.000 0.287 1104 G HA3 0.463 4.421 3.960 -0.002 0.000 0.287 1104 G C -0.361 173.973 174.900 -0.943 0.000 1.350 1104 G CA -0.378 43.859 45.100 -1.439 0.000 1.039 1104 G HN 0.602 nan 8.290 nan 0.000 0.513 1105 N N -1.866 116.497 118.700 -0.562 0.000 2.229 1105 N HA 0.312 5.051 4.740 -0.002 0.000 0.298 1105 N C -1.909 173.774 175.510 0.289 0.000 1.114 1105 N CA -0.628 52.365 53.050 -0.096 0.000 0.776 1105 N CB 2.001 40.347 38.487 -0.235 0.000 1.501 1105 N HN 0.275 nan 8.380 nan 0.000 0.474 1106 Y N 0.388 120.832 120.300 0.238 0.000 2.342 1106 Y HA 0.423 4.972 4.550 -0.002 0.000 0.334 1106 Y C 0.240 176.133 175.900 -0.011 0.000 1.067 1106 Y CA -0.847 57.363 58.100 0.183 0.000 1.128 1106 Y CB 1.349 39.950 38.460 0.234 0.000 1.200 1106 Y HN 0.309 nan 8.280 nan 0.000 0.464 1107 K N 2.008 122.506 120.400 0.163 0.000 2.323 1107 K HA 0.562 4.881 4.320 -0.002 0.000 0.259 1107 K C -0.657 175.981 176.600 0.062 0.000 0.947 1107 K CA -0.704 55.615 56.287 0.054 0.000 0.819 1107 K CB 1.725 34.235 32.500 0.015 0.000 1.109 1107 K HN 0.746 nan 8.250 nan 0.000 0.429 1108 T N 0.005 114.595 114.554 0.061 0.000 2.876 1108 T HA 0.524 4.872 4.350 -0.002 0.000 0.289 1108 T C -0.601 174.139 174.700 0.066 0.000 1.014 1108 T CA -1.023 61.113 62.100 0.060 0.000 0.986 1108 T CB 1.904 70.826 68.868 0.090 0.000 1.021 1108 T HN 0.561 nan 8.240 nan 0.000 0.458 1109 R N 1.218 121.752 120.500 0.057 0.000 2.532 1109 R HA 0.723 5.061 4.340 -0.002 0.000 0.297 1109 R C -1.556 174.788 176.300 0.073 0.000 0.984 1109 R CA -0.638 55.505 56.100 0.071 0.000 0.884 1109 R CB 1.579 31.911 30.300 0.053 0.000 1.182 1109 R HN 1.007 nan 8.270 nan 0.000 0.442 1110 A N 3.606 126.488 122.820 0.104 0.000 2.435 1110 A HA 0.497 4.816 4.320 -0.002 0.000 0.304 1110 A C -1.287 176.354 177.584 0.096 0.000 1.064 1110 A CA -0.752 51.344 52.037 0.097 0.000 0.727 1110 A CB 1.755 20.829 19.000 0.125 0.000 1.284 1110 A HN 0.781 nan 8.150 nan 0.000 0.415 1111 E N 0.846 121.075 120.200 0.050 0.000 2.145 1111 E HA 0.505 4.854 4.350 -0.002 0.000 0.270 1111 E C -1.328 175.235 176.600 -0.061 0.000 0.906 1111 E CA -0.627 55.779 56.400 0.010 0.000 0.761 1111 E CB 2.188 31.898 29.700 0.015 0.000 1.116 1111 E HN 0.356 nan 8.360 nan 0.000 0.408 1112 V N 4.812 124.604 119.914 -0.205 0.000 2.384 1112 V HA 0.453 4.571 4.120 -0.002 0.000 0.287 1112 V C -0.151 175.737 176.094 -0.343 0.000 1.020 1112 V CA -0.489 61.614 62.300 -0.328 0.000 0.850 1112 V CB 0.826 32.288 31.823 -0.601 0.000 0.987 1112 V HN 0.686 nan 8.190 nan 0.000 0.436 1113 K N 3.377 123.645 120.400 -0.220 0.000 2.658 1113 K HA 0.542 4.861 4.320 -0.002 0.000 0.293 1113 K C -1.628 174.873 176.600 -0.166 0.000 1.026 1113 K CA -0.943 55.264 56.287 -0.135 0.000 0.871 1113 K CB 1.324 33.801 32.500 -0.037 0.000 1.524 1113 K HN 0.205 nan 8.250 nan 0.000 0.400 1114 F N 1.394 121.330 119.950 -0.024 0.000 2.412 1114 F HA 0.244 4.770 4.527 -0.002 0.000 0.348 1114 F C 0.325 176.116 175.800 -0.015 0.000 1.102 1114 F CA 0.054 58.040 58.000 -0.024 0.000 1.196 1114 F CB 1.118 40.087 39.000 -0.052 0.000 1.144 1114 F HN 0.294 nan 8.300 nan 0.000 0.541 1115 E N 2.936 123.233 120.200 0.161 0.000 2.255 1115 E HA 0.361 4.710 4.350 -0.002 0.000 0.245 1115 E C 0.673 177.347 176.600 0.123 0.000 0.909 1115 E CA -0.058 56.407 56.400 0.107 0.000 0.747 1115 E CB 1.112 30.846 29.700 0.056 0.000 1.215 1115 E HN 0.811 nan 8.360 nan 0.000 0.424 1116 G N 4.570 113.435 108.800 0.109 0.000 2.583 1116 G HA2 -0.369 3.590 3.960 -0.002 0.000 0.292 1116 G HA3 -0.369 3.590 3.960 -0.002 0.000 0.292 1116 G C 0.587 175.565 174.900 0.129 0.000 1.203 1116 G CA 0.428 45.574 45.100 0.077 0.000 0.987 1116 G HN 0.505 nan 8.290 nan 0.000 0.554 1117 D N 1.120 121.583 120.400 0.105 0.000 2.363 1117 D HA 0.175 4.813 4.640 -0.002 0.000 0.220 1117 D C 1.210 177.666 176.300 0.260 0.000 0.994 1117 D CA 1.237 55.315 54.000 0.130 0.000 0.890 1117 D CB -0.062 40.774 40.800 0.061 0.000 0.906 1117 D HN 0.316 nan 8.370 nan 0.000 0.530 1118 T N 1.802 116.486 114.554 0.217 0.000 2.767 1118 T HA 0.188 4.537 4.350 -0.002 0.000 0.288 1118 T C 0.018 174.718 174.700 -0.001 0.000 0.963 1118 T CA -0.616 61.555 62.100 0.118 0.000 1.019 1118 T CB 1.599 70.501 68.868 0.055 0.000 0.923 1118 T HN -0.087 nan 8.240 nan 0.000 0.468 1119 L N 6.192 127.319 121.223 -0.160 0.000 2.325 1119 L HA 0.421 4.760 4.340 -0.002 0.000 0.284 1119 L C -0.794 175.991 176.870 -0.142 0.000 1.089 1119 L CA -0.041 54.541 54.840 -0.429 0.000 0.836 1119 L CB 0.184 42.064 42.059 -0.298 0.000 1.184 1119 L HN 0.368 nan 8.230 nan 0.000 0.444 1120 V N 5.616 125.439 119.914 -0.151 0.000 2.398 1120 V HA 0.335 4.453 4.120 -0.002 0.000 0.286 1120 V C 0.079 176.149 176.094 -0.040 0.000 1.026 1120 V CA -0.816 61.452 62.300 -0.053 0.000 0.868 1120 V CB 1.738 33.541 31.823 -0.033 0.000 0.982 1120 V HN 0.765 nan 8.190 nan 0.000 0.443 1121 N N 4.583 123.294 118.700 0.019 0.000 2.558 1121 N HA 0.379 5.118 4.740 -0.002 0.000 0.242 1121 N C -0.550 174.993 175.510 0.055 0.000 0.979 1121 N CA -0.475 52.601 53.050 0.043 0.000 0.931 1121 N CB 0.687 39.235 38.487 0.103 0.000 1.122 1121 N HN 0.589 nan 8.380 nan 0.000 0.508 1122 R N 3.039 123.560 120.500 0.034 0.000 2.338 1122 R HA 0.606 4.945 4.340 -0.002 0.000 0.317 1122 R C -0.476 175.847 176.300 0.039 0.000 0.968 1122 R CA -0.509 55.613 56.100 0.036 0.000 0.849 1122 R CB 1.354 31.666 30.300 0.021 0.000 1.128 1122 R HN 0.478 nan 8.270 nan 0.000 0.448 1123 I N 1.729 122.320 120.570 0.035 0.000 2.582 1123 I HA 0.234 4.402 4.170 -0.002 0.000 0.292 1123 I C -0.388 175.724 176.117 -0.008 0.000 1.066 1123 I CA -0.772 60.546 61.300 0.030 0.000 1.053 1123 I CB 2.403 40.429 38.000 0.043 0.000 1.241 1123 I HN 0.597 nan 8.210 nan 0.000 0.421 1124 E N 6.751 126.941 120.200 -0.015 0.000 2.171 1124 E HA 0.674 5.023 4.350 -0.002 0.000 0.271 1124 E C -1.534 175.028 176.600 -0.063 0.000 0.916 1124 E CA -0.829 55.539 56.400 -0.054 0.000 0.774 1124 E CB 2.981 32.659 29.700 -0.038 0.000 1.128 1124 E HN 0.546 nan 8.360 nan 0.000 0.403 1125 L N 2.490 123.634 121.223 -0.131 0.000 2.362 1125 L HA 0.598 4.936 4.340 -0.002 0.000 0.275 1125 L C -1.361 175.426 176.870 -0.139 0.000 0.998 1125 L CA -0.848 53.909 54.840 -0.137 0.000 0.820 1125 L CB 1.669 43.597 42.059 -0.218 0.000 1.270 1125 L HN 0.527 nan 8.230 nan 0.000 0.415 1126 K N 3.144 123.516 120.400 -0.047 0.000 2.426 1126 K HA 0.748 5.067 4.320 -0.002 0.000 0.254 1126 K C -0.865 175.812 176.600 0.129 0.000 0.936 1126 K CA -0.335 55.957 56.287 0.009 0.000 0.801 1126 K CB 2.049 34.559 32.500 0.018 0.000 1.139 1126 K HN 0.664 nan 8.250 nan 0.000 0.424 1127 G N 4.590 113.504 108.800 0.192 0.000 2.530 1127 G HA2 0.680 4.639 3.960 -0.002 0.000 0.316 1127 G HA3 0.680 4.639 3.960 -0.002 0.000 0.316 1127 G C -0.883 174.261 174.900 0.408 0.000 1.298 1127 G CA -0.772 44.610 45.100 0.470 0.000 0.948 1127 G HN 0.712 nan 8.290 nan 0.000 0.486 1128 I N -1.321 119.485 120.570 0.394 0.000 3.174 1128 I HA 0.734 4.903 4.170 -0.002 0.000 0.313 1128 I C -0.372 175.808 176.117 0.104 0.000 1.155 1128 I CA -1.045 60.401 61.300 0.244 0.000 0.977 1128 I CB 2.670 40.741 38.000 0.118 0.000 1.248 1128 I HN 0.437 nan 8.210 nan 0.000 0.453 1129 D N 0.624 121.066 120.400 0.069 0.000 3.090 1129 D HA -0.184 4.455 4.640 -0.002 0.000 0.215 1129 D C -0.576 175.650 176.300 -0.124 0.000 1.140 1129 D CA 1.116 55.090 54.000 -0.043 0.000 0.937 1129 D CB -1.321 39.422 40.800 -0.094 0.000 1.108 1129 D HN 0.439 nan 8.370 nan 0.000 0.420 1130 F N 0.887 120.855 119.950 0.030 0.000 2.382 1130 F HA 0.270 4.795 4.527 -0.002 0.000 0.331 1130 F C 1.566 177.365 175.800 -0.001 0.000 1.121 1130 F CA -0.130 57.868 58.000 -0.004 0.000 1.183 1130 F CB 0.683 39.664 39.000 -0.032 0.000 1.207 1130 F HN -0.415 nan 8.300 nan 0.000 0.555 1131 K N 2.046 122.547 120.400 0.169 0.000 2.297 1131 K HA 0.056 4.374 4.320 -0.002 0.000 0.286 1131 K C 0.806 177.459 176.600 0.088 0.000 1.053 1131 K CA -0.366 55.980 56.287 0.098 0.000 0.940 1131 K CB 0.811 33.346 32.500 0.058 0.000 1.019 1131 K HN 0.507 nan 8.250 nan 0.000 0.475 1132 E N 1.864 122.108 120.200 0.072 0.000 2.265 1132 E HA -0.175 4.174 4.350 -0.002 0.000 0.196 1132 E C 0.573 177.183 176.600 0.018 0.000 0.996 1132 E CA 1.229 57.659 56.400 0.051 0.000 0.832 1132 E CB 0.122 29.862 29.700 0.067 0.000 0.756 1132 E HN 0.648 nan 8.360 nan 0.000 0.491 1133 D N -1.108 119.306 120.400 0.022 0.000 2.402 1133 D HA 0.086 4.725 4.640 -0.002 0.000 0.216 1133 D C 0.921 177.226 176.300 0.009 0.000 1.128 1133 D CA -0.128 53.880 54.000 0.013 0.000 0.833 1133 D CB -0.277 40.533 40.800 0.018 0.000 0.971 1133 D HN -0.065 nan 8.370 nan 0.000 0.503 1134 G N 0.517 109.323 108.800 0.010 0.000 2.553 1134 G HA2 0.059 4.018 3.960 -0.002 0.000 0.278 1134 G HA3 0.059 4.018 3.960 -0.002 0.000 0.278 1134 G C 0.667 175.555 174.900 -0.019 0.000 1.349 1134 G CA -0.649 44.459 45.100 0.013 0.000 1.037 1134 G HN 0.116 nan 8.290 nan 0.000 0.508 1135 N N -1.138 117.553 118.700 -0.013 0.000 2.396 1135 N HA -0.074 4.665 4.740 -0.002 0.000 0.180 1135 N C 1.746 177.179 175.510 -0.129 0.000 1.028 1135 N CA 0.331 53.360 53.050 -0.035 0.000 0.893 1135 N CB 0.019 38.511 38.487 0.008 0.000 0.967 1135 N HN 0.310 nan 8.380 nan 0.000 0.440 1136 I N 0.530 120.988 120.570 -0.186 0.000 2.490 1136 I HA -0.086 4.083 4.170 -0.002 0.000 0.234 1136 I C 1.857 177.671 176.117 -0.505 0.000 1.066 1136 I CA 0.886 61.955 61.300 -0.385 0.000 1.405 1136 I CB -0.649 37.041 38.000 -0.518 0.000 1.191 1136 I HN 0.035 nan 8.210 nan 0.000 0.433 1137 L N 0.351 121.338 121.223 -0.394 0.000 2.265 1137 L HA -0.072 4.267 4.340 -0.002 0.000 0.215 1137 L C 2.098 178.788 176.870 -0.300 0.000 1.117 1137 L CA 1.162 55.757 54.840 -0.409 0.000 0.782 1137 L CB -0.954 40.964 42.059 -0.235 0.000 0.914 1137 L HN 0.432 nan 8.230 nan 0.000 0.441 1138 G N -2.870 105.821 108.800 -0.183 0.000 2.985 1138 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.209 1138 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.209 1138 G C 0.319 175.237 174.900 0.031 0.000 1.165 1138 G CA -0.283 44.792 45.100 -0.042 0.000 0.776 1138 G HN 0.540 nan 8.290 nan 0.000 0.541 1139 H N -0.218 118.786 119.070 -0.109 0.000 2.672 1139 H HA -0.112 4.442 4.556 -0.002 0.000 0.325 1139 H C 0.588 175.888 175.328 -0.047 0.000 1.158 1139 H CA 1.261 57.252 56.048 -0.095 0.000 1.134 1139 H CB -1.140 28.562 29.762 -0.099 0.000 1.553 1139 H HN 0.493 nan 8.280 nan 0.000 0.419 1140 K N 0.600 121.015 120.400 0.024 0.000 2.399 1140 K HA 0.286 4.605 4.320 -0.002 0.000 0.204 1140 K C 0.754 177.380 176.600 0.044 0.000 1.023 1140 K CA -0.035 56.274 56.287 0.036 0.000 1.127 1140 K CB 1.174 33.688 32.500 0.022 0.000 0.856 1140 K HN 0.157 nan 8.250 nan 0.000 0.514 1141 L N 1.803 123.051 121.223 0.042 0.000 2.325 1141 L HA 0.244 4.583 4.340 -0.002 0.000 0.279 1141 L C 0.403 177.337 176.870 0.107 0.000 1.054 1141 L CA -0.649 54.230 54.840 0.064 0.000 0.804 1141 L CB 1.147 43.218 42.059 0.020 0.000 1.200 1141 L HN 0.084 nan 8.230 nan 0.000 0.436 1142 E N 0.770 121.043 120.200 0.121 0.000 2.390 1142 E HA -0.037 4.312 4.350 -0.002 0.000 0.261 1142 E C -1.061 175.666 176.600 0.211 0.000 1.076 1142 E CA -0.149 56.340 56.400 0.149 0.000 0.905 1142 E CB 0.709 30.480 29.700 0.119 0.000 0.984 1142 E HN 0.339 nan 8.360 nan 0.000 0.427 1143 Y N 4.388 124.749 120.300 0.101 0.000 2.724 1143 Y HA 0.117 4.666 4.550 -0.002 0.000 0.332 1143 Y C -0.837 175.138 175.900 0.126 0.000 1.276 1143 Y CA -0.336 57.835 58.100 0.118 0.000 1.597 1143 Y CB -0.805 37.705 38.460 0.084 0.000 1.584 1143 Y HN 0.499 nan 8.280 nan 0.000 0.478 1144 N N 1.120 119.816 118.700 -0.006 0.000 3.277 1144 N HA 0.400 5.138 4.740 -0.002 0.000 0.278 1144 N C -2.350 173.258 175.510 0.163 0.000 1.544 1144 N CA -0.968 52.086 53.050 0.008 0.000 0.869 1144 N CB 1.327 39.850 38.487 0.061 0.000 1.584 1144 N HN 0.141 nan 8.380 nan 0.000 0.564 1145 Y N -1.123 119.183 120.300 0.010 0.000 2.609 1145 Y HA 0.520 5.069 4.550 -0.002 0.000 0.336 1145 Y C -1.355 174.580 175.900 0.059 0.000 1.129 1145 Y CA -0.728 57.415 58.100 0.072 0.000 1.040 1145 Y CB 1.968 40.464 38.460 0.061 0.000 1.310 1145 Y HN 0.623 nan 8.280 nan 0.000 0.460 1146 N N 0.553 119.217 118.700 -0.060 0.000 2.471 1146 N HA 0.421 5.160 4.740 -0.002 0.000 0.288 1146 N C -1.193 174.255 175.510 -0.103 0.000 1.220 1146 N CA -0.649 52.338 53.050 -0.104 0.000 0.893 1146 N CB 1.920 40.257 38.487 -0.250 0.000 1.256 1146 N HN 0.463 nan 8.380 nan 0.000 0.534 1147 S N 0.209 115.781 115.700 -0.214 0.000 2.580 1147 S HA 0.320 4.789 4.470 -0.002 0.000 0.274 1147 S C -0.474 173.820 174.600 -0.510 0.000 1.329 1147 S CA -0.252 57.855 58.200 -0.155 0.000 1.036 1147 S CB 0.255 63.416 63.200 -0.065 0.000 0.919 1147 S HN 0.388 nan 8.310 nan 0.000 0.515 1148 H N 0.897 120.003 119.070 0.060 0.000 2.990 1148 H HA 0.404 4.959 4.556 -0.002 0.000 0.343 1148 H C -1.031 174.292 175.328 -0.009 0.000 1.270 1148 H CA -0.873 55.168 56.048 -0.012 0.000 1.118 1148 H CB 1.469 31.178 29.762 -0.088 0.000 1.861 1148 H HN 0.446 nan 8.280 nan 0.000 0.544 1149 N N 0.405 119.127 118.700 0.037 0.000 2.314 1149 N HA 0.364 5.102 4.740 -0.002 0.000 0.304 1149 N C -0.928 174.358 175.510 -0.375 0.000 1.073 1149 N CA -0.535 52.411 53.050 -0.173 0.000 0.822 1149 N CB 2.661 40.882 38.487 -0.443 0.000 1.280 1149 N HN 0.168 nan 8.380 nan 0.000 0.489 1150 V N 2.948 122.609 119.914 -0.421 0.000 2.444 1150 V HA 0.356 4.475 4.120 -0.002 0.000 0.294 1150 V C -1.079 174.816 176.094 -0.331 0.000 1.022 1150 V CA -0.657 61.388 62.300 -0.425 0.000 0.850 1150 V CB 0.484 32.021 31.823 -0.477 0.000 0.992 1150 V HN 0.507 nan 8.190 nan 0.000 0.426 1151 Y N 5.243 125.601 120.300 0.096 0.000 2.341 1151 Y HA 0.612 5.160 4.550 -0.003 0.000 0.340 1151 Y C 0.296 176.215 175.900 0.031 0.000 0.997 1151 Y CA -0.414 57.726 58.100 0.067 0.000 1.149 1151 Y CB 1.178 39.667 38.460 0.048 0.000 1.171 1151 Y HN 0.437 nan 8.280 nan 0.000 0.494 1152 I N 5.706 126.302 120.570 0.043 0.000 2.441 1152 I HA 0.525 4.694 4.170 -0.002 0.000 0.295 1152 I C -0.323 175.800 176.117 0.011 0.000 0.994 1152 I CA -0.817 60.464 61.300 -0.032 0.000 1.144 1152 I CB 1.426 39.286 38.000 -0.233 0.000 1.314 1152 I HN 0.590 nan 8.210 nan 0.000 0.445 1153 M N 3.957 123.574 119.600 0.027 0.000 2.575 1153 M HA 0.785 5.264 4.480 -0.002 0.000 0.284 1153 M C -0.955 175.339 176.300 -0.010 0.000 1.253 1153 M CA -0.912 54.410 55.300 0.038 0.000 0.861 1153 M CB 2.017 34.645 32.600 0.046 0.000 1.733 1153 M HN 0.463 nan 8.290 nan 0.000 0.462 1154 A N 0.916 123.738 122.820 0.005 0.000 2.462 1154 A HA 0.353 4.672 4.320 -0.002 0.000 0.243 1154 A C -0.622 176.935 177.584 -0.044 0.000 1.076 1154 A CA 0.098 52.114 52.037 -0.034 0.000 0.773 1154 A CB 0.001 19.005 19.000 0.006 0.000 1.010 1154 A HN 0.800 nan 8.150 nan 0.000 0.493 1155 D N 1.561 121.912 120.400 -0.083 0.000 2.434 1155 D HA 0.240 4.878 4.640 -0.002 0.000 0.275 1155 D C 0.753 177.028 176.300 -0.043 0.000 1.172 1155 D CA -0.288 53.679 54.000 -0.055 0.000 0.916 1155 D CB 0.379 41.138 40.800 -0.069 0.000 1.041 1155 D HN 0.529 nan 8.370 nan 0.000 0.501 1156 K N 0.663 121.052 120.400 -0.018 0.000 2.209 1156 K HA -0.122 4.196 4.320 -0.002 0.000 0.204 1156 K C 1.633 178.234 176.600 0.002 0.000 1.048 1156 K CA 1.044 57.329 56.287 -0.004 0.000 0.940 1156 K CB 0.351 32.854 32.500 0.006 0.000 0.729 1156 K HN 0.492 nan 8.250 nan 0.000 0.451 1157 Q N 0.203 120.004 119.800 0.001 0.000 2.230 1157 Q HA -0.065 4.274 4.340 -0.002 0.000 0.202 1157 Q C 1.313 177.319 176.000 0.010 0.000 0.963 1157 Q CA 0.818 56.625 55.803 0.006 0.000 0.866 1157 Q CB 0.168 28.910 28.738 0.006 0.000 0.931 1157 Q HN 0.121 nan 8.270 nan 0.000 0.452 1158 K N 0.659 121.060 120.400 0.003 0.000 2.373 1158 K HA 0.042 4.360 4.320 -0.002 0.000 0.202 1158 K C -0.059 176.554 176.600 0.022 0.000 1.025 1158 K CA -0.238 56.056 56.287 0.012 0.000 1.115 1158 K CB 0.316 32.817 32.500 0.002 0.000 0.858 1158 K HN 0.077 nan 8.250 nan 0.000 0.525 1159 N N 0.929 119.639 118.700 0.018 0.000 2.714 1159 N HA -0.190 4.549 4.740 -0.002 0.000 0.252 1159 N C -0.420 175.122 175.510 0.053 0.000 1.014 1159 N CA 1.065 54.141 53.050 0.044 0.000 0.735 1159 N CB -0.845 37.684 38.487 0.071 0.000 0.924 1159 N HN 0.476 nan 8.380 nan 0.000 0.540 1160 G N -1.121 107.624 108.800 -0.092 0.000 2.871 1160 G HA2 0.719 4.677 3.960 -0.002 0.000 0.282 1160 G HA3 0.719 4.677 3.960 -0.002 0.000 0.282 1160 G C -0.661 173.918 174.900 -0.536 0.000 1.212 1160 G CA -0.300 44.569 45.100 -0.384 0.000 0.812 1160 G HN 0.569 nan 8.290 nan 0.000 0.547 1161 I N -2.758 117.415 120.570 -0.663 0.000 3.042 1161 I HA 0.769 4.938 4.170 -0.002 0.000 0.310 1161 I C -1.143 174.843 176.117 -0.217 0.000 1.117 1161 I CA -1.200 59.831 61.300 -0.449 0.000 1.003 1161 I CB 2.629 40.269 38.000 -0.599 0.000 1.228 1161 I HN 0.163 nan 8.210 nan 0.000 0.443 1162 K N 2.577 122.917 120.400 -0.100 0.000 2.259 1162 K HA 0.786 5.105 4.320 -0.002 0.000 0.252 1162 K C -1.499 175.129 176.600 0.047 0.000 0.936 1162 K CA -0.863 55.423 56.287 -0.002 0.000 0.810 1162 K CB 3.044 35.561 32.500 0.028 0.000 1.143 1162 K HN 0.511 nan 8.250 nan 0.000 0.427 1163 V N 2.213 122.193 119.914 0.110 0.000 2.760 1163 V HA 0.380 4.498 4.120 -0.002 0.000 0.309 1163 V C -0.981 175.229 176.094 0.193 0.000 1.077 1163 V CA -1.028 61.382 62.300 0.184 0.000 0.910 1163 V CB 1.913 33.893 31.823 0.261 0.000 1.008 1163 V HN 1.035 nan 8.190 nan 0.000 0.424 1164 N N 2.873 121.716 118.700 0.238 0.000 2.494 1164 N HA 0.866 5.604 4.740 -0.002 0.000 0.270 1164 N C -1.014 174.710 175.510 0.357 0.000 1.285 1164 N CA -0.718 52.402 53.050 0.117 0.000 0.812 1164 N CB 2.582 40.992 38.487 -0.128 0.000 1.557 1164 N HN 0.655 nan 8.380 nan 0.000 0.487 1165 F N -3.043 116.876 119.950 -0.052 0.000 2.878 1165 F HA 0.576 5.102 4.527 -0.002 0.000 0.322 1165 F C -1.833 173.898 175.800 -0.114 0.000 1.154 1165 F CA -1.206 56.771 58.000 -0.038 0.000 0.896 1165 F CB 1.243 40.178 39.000 -0.108 0.000 1.313 1165 F HN 0.402 nan 8.300 nan 0.000 0.451 1166 K N 2.030 122.453 120.400 0.039 0.000 2.345 1166 K HA 0.669 4.987 4.320 -0.002 0.000 0.255 1166 K C -1.515 174.972 176.600 -0.188 0.000 0.934 1166 K CA -0.863 55.370 56.287 -0.090 0.000 0.801 1166 K CB 2.427 34.905 32.500 -0.037 0.000 1.137 1166 K HN 0.437 nan 8.250 nan 0.000 0.424 1167 I N 3.016 123.395 120.570 -0.319 0.000 2.404 1167 I HA 0.344 4.512 4.170 -0.002 0.000 0.293 1167 I C -0.301 175.577 176.117 -0.399 0.000 0.992 1167 I CA -0.929 60.004 61.300 -0.612 0.000 1.149 1167 I CB 1.537 39.158 38.000 -0.630 0.000 1.315 1167 I HN 0.467 nan 8.210 nan 0.000 0.446 1168 R N 5.037 125.385 120.500 -0.254 0.000 2.265 1168 R HA 0.405 4.743 4.340 -0.002 0.000 0.328 1168 R C -0.498 175.663 176.300 -0.231 0.000 0.969 1168 R CA -0.504 55.502 56.100 -0.157 0.000 0.832 1168 R CB 0.620 30.911 30.300 -0.014 0.000 1.139 1168 R HN 0.396 nan 8.270 nan 0.000 0.457 1169 H N 1.670 120.740 119.070 0.001 0.000 2.502 1169 H HA 0.253 4.807 4.556 -0.002 0.000 0.327 1169 H C -0.158 175.185 175.328 0.025 0.000 1.099 1169 H CA -0.585 55.464 56.048 0.002 0.000 1.323 1169 H CB 1.127 30.934 29.762 0.075 0.000 1.450 1169 H HN 0.383 nan 8.280 nan 0.000 0.502 1170 N N 3.100 121.885 118.700 0.142 0.000 2.470 1170 N HA 0.122 4.860 4.740 -0.002 0.000 0.268 1170 N C 0.403 175.976 175.510 0.104 0.000 1.136 1170 N CA -0.044 53.065 53.050 0.097 0.000 0.961 1170 N CB 1.065 39.596 38.487 0.073 0.000 1.067 1170 N HN 0.432 nan 8.380 nan 0.000 0.468 1171 I N 1.038 121.658 120.570 0.083 0.000 2.612 1171 I HA 0.028 4.196 4.170 -0.002 0.000 0.295 1171 I C 1.950 178.104 176.117 0.061 0.000 1.011 1171 I CA -0.522 60.821 61.300 0.071 0.000 1.326 1171 I CB 1.048 39.085 38.000 0.062 0.000 1.427 1171 I HN 0.598 nan 8.210 nan 0.000 0.537 1172 E N 2.760 122.994 120.200 0.056 0.000 2.265 1172 E HA -0.251 4.098 4.350 -0.002 0.000 0.196 1172 E C 0.652 177.277 176.600 0.041 0.000 0.996 1172 E CA 1.362 57.793 56.400 0.051 0.000 0.832 1172 E CB -0.169 29.561 29.700 0.050 0.000 0.756 1172 E HN 0.789 nan 8.360 nan 0.000 0.491 1173 D N -0.303 120.119 120.400 0.037 0.000 2.340 1173 D HA 0.077 4.716 4.640 -0.002 0.000 0.220 1173 D C 1.344 177.661 176.300 0.029 0.000 1.039 1173 D CA 0.636 54.654 54.000 0.030 0.000 0.866 1173 D CB 0.437 41.254 40.800 0.027 0.000 0.913 1173 D HN 0.362 nan 8.370 nan 0.000 0.523 1174 G N -0.642 108.178 108.800 0.034 0.000 2.194 1174 G HA2 -0.271 3.687 3.960 -0.002 0.000 0.236 1174 G HA3 -0.271 3.687 3.960 -0.002 0.000 0.236 1174 G C 0.459 175.377 174.900 0.030 0.000 0.987 1174 G CA 0.339 45.457 45.100 0.031 0.000 0.635 1174 G HN 0.596 nan 8.290 nan 0.000 0.520 1175 S N -1.418 114.302 115.700 0.033 0.000 2.598 1175 S HA 0.746 5.214 4.470 -0.002 0.000 0.267 1175 S C 0.214 174.840 174.600 0.043 0.000 1.189 1175 S CA 0.376 58.596 58.200 0.033 0.000 1.010 1175 S CB 1.349 64.568 63.200 0.033 0.000 1.084 1175 S HN 0.947 nan 8.310 nan 0.000 0.541 1176 V N 1.896 121.837 119.914 0.045 0.000 2.760 1176 V HA 0.445 4.564 4.120 -0.002 0.000 0.309 1176 V C -1.082 175.055 176.094 0.072 0.000 1.077 1176 V CA -0.649 61.683 62.300 0.054 0.000 0.910 1176 V CB 1.813 33.656 31.823 0.033 0.000 1.008 1176 V HN 0.826 nan 8.190 nan 0.000 0.424 1177 Q N 3.830 123.698 119.800 0.113 0.000 2.400 1177 Q HA 0.543 4.882 4.340 -0.002 0.000 0.255 1177 Q C -1.169 174.922 176.000 0.151 0.000 1.008 1177 Q CA -0.267 55.631 55.803 0.159 0.000 0.841 1177 Q CB 1.439 30.316 28.738 0.233 0.000 1.220 1177 Q HN 0.671 nan 8.270 nan 0.000 0.474 1178 L N 3.292 124.568 121.223 0.089 0.000 2.349 1178 L HA 0.734 5.073 4.340 -0.002 0.000 0.275 1178 L C -0.943 175.920 176.870 -0.012 0.000 1.115 1178 L CA 0.260 55.108 54.840 0.014 0.000 0.820 1178 L CB 1.142 43.198 42.059 -0.006 0.000 1.135 1178 L HN 0.746 nan 8.230 nan 0.000 0.445 1179 A N 4.632 127.368 122.820 -0.139 0.000 2.466 1179 A HA 0.393 4.712 4.320 -0.002 0.000 0.291 1179 A C -0.916 176.534 177.584 -0.224 0.000 1.234 1179 A CA -0.694 51.115 52.037 -0.381 0.000 0.752 1179 A CB 0.102 18.798 19.000 -0.506 0.000 1.153 1179 A HN 0.707 nan 8.150 nan 0.000 0.458 1180 D N 1.697 121.979 120.400 -0.197 0.000 2.312 1180 D HA 0.275 4.914 4.640 -0.002 0.000 0.252 1180 D C -0.784 175.380 176.300 -0.228 0.000 1.150 1180 D CA 0.596 54.518 54.000 -0.129 0.000 0.870 1180 D CB 0.727 41.532 40.800 0.009 0.000 1.153 1180 D HN 0.578 nan 8.370 nan 0.000 0.457 1181 H N 1.793 120.513 119.070 -0.583 0.000 2.511 1181 H HA 0.268 4.823 4.556 -0.002 0.000 0.328 1181 H C -0.800 174.168 175.328 -0.600 0.000 1.044 1181 H CA -0.295 55.343 56.048 -0.683 0.000 1.212 1181 H CB 0.523 29.417 29.762 -1.447 0.000 1.428 1181 H HN 0.287 nan 8.280 nan 0.000 0.483 1182 Y N 1.635 121.846 120.300 -0.147 0.000 2.352 1182 Y HA 0.362 4.910 4.550 -0.003 0.000 0.339 1182 Y C 0.170 176.061 175.900 -0.015 0.000 0.992 1182 Y CA -0.569 57.505 58.100 -0.043 0.000 1.100 1182 Y CB 1.666 40.131 38.460 0.009 0.000 1.192 1182 Y HN 0.539 nan 8.280 nan 0.000 0.458 1183 Q N 3.629 123.532 119.800 0.172 0.000 2.345 1183 Q HA 0.482 4.820 4.340 -0.002 0.000 0.275 1183 Q C -1.830 174.254 176.000 0.140 0.000 1.063 1183 Q CA -0.958 54.946 55.803 0.167 0.000 0.819 1183 Q CB 2.477 31.353 28.738 0.230 0.000 1.356 1183 Q HN 0.809 nan 8.270 nan 0.000 0.418 1184 Q N 1.994 121.865 119.800 0.118 0.000 2.359 1184 Q HA 0.610 4.948 4.340 -0.002 0.000 0.274 1184 Q C -1.583 174.461 176.000 0.072 0.000 1.074 1184 Q CA -0.971 54.872 55.803 0.065 0.000 0.810 1184 Q CB 1.939 30.707 28.738 0.051 0.000 1.342 1184 Q HN 0.526 nan 8.270 nan 0.000 0.427 1185 N N 0.734 119.424 118.700 -0.017 0.000 2.258 1185 N HA 0.605 5.344 4.740 -0.002 0.000 0.299 1185 N C -1.607 173.891 175.510 -0.021 0.000 1.047 1185 N CA -0.364 52.701 53.050 0.025 0.000 0.814 1185 N CB 2.504 40.942 38.487 -0.082 0.000 1.413 1185 N HN 0.612 nan 8.380 nan 0.000 0.478 1186 T N 1.210 115.878 114.554 0.190 0.000 2.886 1186 T HA 0.525 4.874 4.350 -0.002 0.000 0.292 1186 T C -2.820 172.106 174.700 0.376 0.000 1.012 1186 T CA -1.349 60.887 62.100 0.226 0.000 0.982 1186 T CB 2.114 71.070 68.868 0.148 0.000 1.018 1186 T HN 0.271 nan 8.240 nan 0.000 0.451 1187 P HA 0.282 nan 4.420 nan 0.000 0.269 1187 P C 0.416 177.828 177.300 0.186 0.000 1.209 1187 P CA -0.256 63.012 63.100 0.279 0.000 0.776 1187 P CB 1.048 32.862 31.700 0.190 0.000 0.876 1188 I N 0.879 121.539 120.570 0.150 0.000 2.333 1188 I HA -0.001 4.167 4.170 -0.002 0.000 0.246 1188 I C 1.736 177.897 176.117 0.075 0.000 1.106 1188 I CA 1.091 62.452 61.300 0.101 0.000 1.411 1188 I CB -0.606 37.441 38.000 0.078 0.000 1.082 1188 I HN 0.429 nan 8.210 nan 0.000 0.420 1189 G N -0.547 108.293 108.800 0.066 0.000 2.580 1189 G HA2 0.005 3.964 3.960 -0.002 0.000 0.278 1189 G HA3 0.005 3.964 3.960 -0.002 0.000 0.278 1189 G C -0.205 174.722 174.900 0.046 0.000 1.212 1189 G CA -0.098 45.030 45.100 0.046 0.000 0.939 1189 G HN 0.113 nan 8.290 nan 0.000 0.513 1190 D N -1.204 119.215 120.400 0.031 0.000 2.363 1190 D HA 0.204 4.842 4.640 -0.002 0.000 0.214 1190 D C 1.409 177.722 176.300 0.021 0.000 1.093 1190 D CA 0.163 54.181 54.000 0.029 0.000 0.837 1190 D CB -0.147 40.666 40.800 0.021 0.000 0.948 1190 D HN 0.444 nan 8.370 nan 0.000 0.507 1191 G N 0.566 109.376 108.800 0.016 0.000 2.588 1191 G HA2 0.425 4.383 3.960 -0.002 0.000 0.281 1191 G HA3 0.425 4.383 3.960 -0.002 0.000 0.281 1191 G C -2.220 172.684 174.900 0.007 0.000 1.236 1191 G CA -0.884 44.219 45.100 0.004 0.000 0.969 1191 G HN 0.067 nan 8.290 nan 0.000 0.504 1192 P HA 0.354 nan 4.420 nan 0.000 0.275 1192 P C -0.247 177.046 177.300 -0.013 0.000 1.227 1192 P CA -0.240 62.859 63.100 -0.001 0.000 0.781 1192 P CB 1.428 33.122 31.700 -0.010 0.000 0.906 1193 V N 0.110 120.027 119.914 0.005 0.000 3.046 1193 V HA 0.537 4.655 4.120 -0.002 0.000 0.316 1193 V C -0.211 175.887 176.094 0.008 0.000 1.104 1193 V CA -1.341 60.948 62.300 -0.019 0.000 1.006 1193 V CB 1.591 33.425 31.823 0.018 0.000 1.058 1193 V HN 0.263 nan 8.190 nan 0.000 0.440 1194 L N 2.543 123.753 121.223 -0.023 0.000 2.278 1194 L HA 0.458 4.797 4.340 -0.002 0.000 0.287 1194 L C -0.478 176.441 176.870 0.082 0.000 1.072 1194 L CA -0.195 54.632 54.840 -0.022 0.000 0.819 1194 L CB 0.782 42.773 42.059 -0.114 0.000 1.176 1194 L HN 0.476 nan 8.230 nan 0.000 0.435 1195 L N 6.524 127.783 121.223 0.061 0.000 2.255 1195 L HA 0.420 4.758 4.340 -0.002 0.000 0.289 1195 L C -1.873 175.047 176.870 0.084 0.000 1.046 1195 L CA -1.722 53.155 54.840 0.062 0.000 0.816 1195 L CB 0.937 43.019 42.059 0.038 0.000 1.197 1195 L HN 0.400 nan 8.230 nan 0.000 0.427 1196 P HA 0.217 nan 4.420 nan 0.000 0.281 1196 P C -0.929 176.534 177.300 0.271 0.000 1.249 1196 P CA -0.655 62.623 63.100 0.296 0.000 0.810 1196 P CB 1.200 33.101 31.700 0.335 0.000 1.008 1197 D N 0.820 121.409 120.400 0.314 0.000 2.362 1197 D HA 0.047 4.685 4.640 -0.002 0.000 0.238 1197 D C 0.365 176.754 176.300 0.148 0.000 1.212 1197 D CA 0.371 54.435 54.000 0.108 0.000 0.902 1197 D CB -0.002 40.776 40.800 -0.037 0.000 1.180 1197 D HN 0.257 nan 8.370 nan 0.000 0.445 1198 N N 1.816 120.595 118.700 0.131 0.000 2.357 1198 N HA 0.022 4.761 4.740 -0.002 0.000 0.257 1198 N C 0.205 175.863 175.510 0.247 0.000 1.250 1198 N CA 0.592 53.744 53.050 0.169 0.000 0.862 1198 N CB 0.131 38.690 38.487 0.120 0.000 1.066 1198 N HN 0.483 nan 8.380 nan 0.000 0.468 1199 H N -0.575 118.562 119.070 0.111 0.000 2.917 1199 H HA 0.396 4.951 4.556 -0.002 0.000 0.269 1199 H C -1.312 174.147 175.328 0.218 0.000 1.488 1199 H CA -0.863 55.253 56.048 0.113 0.000 1.173 1199 H CB 0.693 30.432 29.762 -0.038 0.000 1.868 1199 H HN 0.514 nan 8.280 nan 0.000 0.600 1200 Y N -0.340 119.913 120.300 -0.078 0.000 2.615 1200 Y HA 0.702 5.251 4.550 -0.002 0.000 0.341 1200 Y C -1.724 174.063 175.900 -0.187 0.000 1.089 1200 Y CA -1.430 56.516 58.100 -0.258 0.000 1.049 1200 Y CB 1.573 39.786 38.460 -0.412 0.000 1.296 1200 Y HN 0.502 nan 8.280 nan 0.000 0.470 1201 L N 2.580 123.720 121.223 -0.137 0.000 2.307 1201 L HA 0.565 4.904 4.340 -0.002 0.000 0.284 1201 L C -0.053 176.805 176.870 -0.021 0.000 1.023 1201 L CA -0.978 53.753 54.840 -0.182 0.000 0.810 1201 L CB 1.921 43.893 42.059 -0.145 0.000 1.231 1201 L HN 0.782 nan 8.230 nan 0.000 0.423 1202 S N 1.910 117.553 115.700 -0.095 0.000 2.457 1202 S HA 0.557 5.026 4.470 -0.002 0.000 0.289 1202 S C -1.029 173.540 174.600 -0.051 0.000 1.163 1202 S CA -0.276 57.950 58.200 0.042 0.000 1.078 1202 S CB 0.278 63.511 63.200 0.055 0.000 0.987 1202 S HN 0.325 nan 8.310 nan 0.000 0.482 1203 Y N 2.765 123.063 120.300 -0.004 0.000 2.377 1203 Y HA 0.485 5.034 4.550 -0.002 0.000 0.339 1203 Y C 0.322 176.262 175.900 0.067 0.000 1.011 1203 Y CA -0.557 57.558 58.100 0.026 0.000 1.093 1203 Y CB 1.852 40.323 38.460 0.018 0.000 1.201 1203 Y HN 0.571 nan 8.280 nan 0.000 0.455 1204 Q N 1.595 121.541 119.800 0.244 0.000 2.356 1204 Q HA 0.716 5.054 4.340 -0.002 0.000 0.270 1204 Q C -1.372 174.777 176.000 0.248 0.000 1.058 1204 Q CA -0.864 55.075 55.803 0.227 0.000 0.802 1204 Q CB 2.455 31.311 28.738 0.196 0.000 1.303 1204 Q HN 0.562 nan 8.270 nan 0.000 0.444 1205 S N 0.921 116.749 115.700 0.215 0.000 2.575 1205 S HA 0.819 5.288 4.470 -0.002 0.000 0.278 1205 S C -1.477 173.191 174.600 0.114 0.000 1.139 1205 S CA -0.753 57.526 58.200 0.132 0.000 0.954 1205 S CB 1.763 64.992 63.200 0.047 0.000 1.054 1205 S HN 0.645 nan 8.310 nan 0.000 0.483 1206 A N 3.350 126.207 122.820 0.061 0.000 2.356 1206 A HA 0.824 5.143 4.320 -0.002 0.000 0.310 1206 A C -1.010 176.559 177.584 -0.024 0.000 1.075 1206 A CA -0.650 51.413 52.037 0.043 0.000 0.746 1206 A CB 0.680 19.723 19.000 0.072 0.000 1.221 1206 A HN 0.762 nan 8.150 nan 0.000 0.443 1207 L N 2.220 123.390 121.223 -0.088 0.000 2.325 1207 L HA 0.778 5.116 4.340 -0.002 0.000 0.278 1207 L C 0.422 177.261 176.870 -0.052 0.000 1.023 1207 L CA -0.453 54.268 54.840 -0.197 0.000 0.811 1207 L CB 1.843 43.523 42.059 -0.630 0.000 1.249 1207 L HN 0.928 nan 8.230 nan 0.000 0.431 1208 S N 1.231 116.996 115.700 0.108 0.000 2.688 1208 S HA 0.675 5.144 4.470 -0.002 0.000 0.275 1208 S C -1.338 173.377 174.600 0.192 0.000 1.175 1208 S CA -1.164 57.160 58.200 0.207 0.000 0.818 1208 S CB 2.536 65.797 63.200 0.102 0.000 1.157 1208 S HN 0.386 nan 8.310 nan 0.000 0.482 1209 K N 0.918 121.387 120.400 0.116 0.000 2.318 1209 K HA 0.479 4.798 4.320 -0.002 0.000 0.249 1209 K C -1.638 175.085 176.600 0.204 0.000 0.942 1209 K CA -0.526 55.819 56.287 0.097 0.000 0.808 1209 K CB 1.807 34.292 32.500 -0.024 0.000 1.189 1209 K HN 0.786 nan 8.250 nan 0.000 0.428 1210 D N 3.627 124.256 120.400 0.383 0.000 2.339 1210 D HA 0.127 4.765 4.640 -0.002 0.000 0.241 1210 D C -1.435 174.882 176.300 0.028 0.000 1.183 1210 D CA -2.092 51.957 54.000 0.082 0.000 0.859 1210 D CB 1.204 41.944 40.800 -0.099 0.000 1.067 1210 D HN 0.086 nan 8.370 nan 0.000 0.484 1211 P HA -0.105 nan 4.420 nan 0.000 0.221 1211 P C 0.367 177.654 177.300 -0.021 0.000 1.145 1211 P CA 0.747 63.853 63.100 0.009 0.000 0.795 1211 P CB 0.448 32.152 31.700 0.007 0.000 0.775 1212 N N -0.408 118.260 118.700 -0.053 0.000 2.230 1212 N HA 0.022 4.761 4.740 -0.002 0.000 0.202 1212 N C 0.208 175.651 175.510 -0.112 0.000 1.119 1212 N CA 0.193 53.203 53.050 -0.067 0.000 0.851 1212 N CB 0.310 38.762 38.487 -0.058 0.000 0.990 1212 N HN 0.194 nan 8.380 nan 0.000 0.497 1213 E N 1.322 121.405 120.200 -0.194 0.000 2.146 1213 E HA 0.188 4.537 4.350 -0.002 0.000 0.282 1213 E C 0.440 176.917 176.600 -0.204 0.000 0.989 1213 E CA -0.242 55.967 56.400 -0.320 0.000 0.799 1213 E CB 0.705 29.922 29.700 -0.805 0.000 1.088 1213 E HN -0.205 nan 8.360 nan 0.000 0.397 1214 K N 3.415 123.751 120.400 -0.106 0.000 2.354 1214 K HA 0.202 4.520 4.320 -0.002 0.000 0.194 1214 K C 0.241 176.854 176.600 0.021 0.000 1.038 1214 K CA 0.059 56.332 56.287 -0.023 0.000 1.052 1214 K CB 0.307 32.797 32.500 -0.017 0.000 0.861 1214 K HN 0.384 nan 8.250 nan 0.000 0.535 1215 R N 1.528 122.035 120.500 0.011 0.000 2.707 1215 R HA 0.066 4.404 4.340 -0.002 0.000 0.270 1215 R C 0.019 176.444 176.300 0.208 0.000 1.083 1215 R CA -0.466 55.685 56.100 0.084 0.000 1.182 1215 R CB 0.263 30.605 30.300 0.071 0.000 1.084 1215 R HN -0.076 nan 8.270 nan 0.000 0.528 1216 D N 1.659 122.205 120.400 0.242 0.000 2.383 1216 D HA 0.021 4.660 4.640 -0.002 0.000 0.252 1216 D C -0.522 176.071 176.300 0.489 0.000 1.166 1216 D CA 0.573 54.786 54.000 0.355 0.000 0.879 1216 D CB 0.364 41.355 40.800 0.318 0.000 1.164 1216 D HN 0.527 nan 8.370 nan 0.000 0.462 1217 H N 1.481 120.594 119.070 0.071 0.000 2.948 1217 H HA 0.528 5.082 4.556 -0.002 0.000 0.315 1217 H C -1.641 173.119 175.328 -0.946 0.000 1.360 1217 H CA -1.148 54.695 56.048 -0.341 0.000 1.125 1217 H CB 0.929 30.593 29.762 -0.163 0.000 1.844 1217 H HN 0.418 nan 8.280 nan 0.000 0.529 1218 M N 2.281 121.309 119.600 -0.952 0.000 2.238 1218 M HA 0.401 4.879 4.480 -0.002 0.000 0.278 1218 M C -2.065 174.166 176.300 -0.115 0.000 1.040 1218 M CA -0.706 54.206 55.300 -0.646 0.000 0.969 1218 M CB 1.845 33.963 32.600 -0.804 0.000 1.694 1218 M HN 0.378 nan 8.290 nan 0.000 0.472 1219 V N 5.230 125.138 119.914 -0.010 0.000 2.407 1219 V HA 0.535 4.653 4.120 -0.002 0.000 0.278 1219 V C -0.799 175.315 176.094 0.033 0.000 1.037 1219 V CA -0.672 61.648 62.300 0.034 0.000 0.900 1219 V CB 1.384 33.237 31.823 0.050 0.000 0.983 1219 V HN 0.746 nan 8.190 nan 0.000 0.459 1220 L N 6.381 127.626 121.223 0.037 0.000 2.376 1220 L HA 0.708 5.047 4.340 -0.002 0.000 0.275 1220 L C -1.064 175.788 176.870 -0.030 0.000 0.987 1220 L CA -0.396 54.460 54.840 0.028 0.000 0.828 1220 L CB 1.600 43.746 42.059 0.144 0.000 1.249 1220 L HN 0.612 nan 8.230 nan 0.000 0.409 1221 L N 4.569 125.764 121.223 -0.046 0.000 2.322 1221 L HA 0.715 5.053 4.340 -0.002 0.000 0.281 1221 L C -0.903 175.896 176.870 -0.118 0.000 1.014 1221 L CA 0.159 54.935 54.840 -0.107 0.000 0.815 1221 L CB 1.603 43.645 42.059 -0.028 0.000 1.247 1221 L HN 0.817 nan 8.230 nan 0.000 0.421 1222 E N 3.448 123.467 120.200 -0.302 0.000 2.321 1222 E HA 0.530 4.878 4.350 -0.002 0.000 0.278 1222 E C -1.974 174.339 176.600 -0.477 0.000 0.902 1222 E CA -0.498 55.785 56.400 -0.196 0.000 0.758 1222 E CB 1.391 31.050 29.700 -0.069 0.000 1.213 1222 E HN 0.474 nan 8.360 nan 0.000 0.426 1223 F N 2.503 122.446 119.950 -0.012 0.000 2.518 1223 F HA 0.522 5.047 4.527 -0.003 0.000 0.323 1223 F C -0.724 174.973 175.800 -0.171 0.000 1.129 1223 F CA -0.810 57.158 58.000 -0.054 0.000 0.920 1223 F CB 1.962 40.948 39.000 -0.024 0.000 1.160 1223 F HN 0.120 nan 8.300 nan 0.000 0.440 1224 V N 2.016 121.867 119.914 -0.104 0.000 2.525 1224 V HA 0.647 4.766 4.120 -0.002 0.000 0.299 1224 V C -0.664 175.267 176.094 -0.271 0.000 1.034 1224 V CA -0.636 61.413 62.300 -0.418 0.000 0.863 1224 V CB 1.918 33.352 31.823 -0.649 0.000 0.999 1224 V HN 0.804 nan 8.190 nan 0.000 0.423 1225 T N 3.366 117.743 114.554 -0.296 0.000 2.879 1225 T HA 0.701 5.049 4.350 -0.002 0.000 0.290 1225 T C 0.053 174.530 174.700 -0.370 0.000 0.993 1225 T CA -0.337 61.607 62.100 -0.260 0.000 0.975 1225 T CB 1.786 70.557 68.868 -0.162 0.000 0.981 1225 T HN 0.977 nan 8.240 nan 0.000 0.439 1226 A N 2.414 124.926 122.820 -0.513 0.000 2.388 1226 A HA 0.848 5.167 4.320 -0.002 0.000 0.257 1226 A C 0.368 177.658 177.584 -0.491 0.000 1.095 1226 A CA -0.229 51.431 52.037 -0.628 0.000 0.791 1226 A CB 0.020 18.264 19.000 -1.260 0.000 1.029 1226 A HN 1.252 nan 8.150 nan 0.000 0.489 1227 A N 0.345 122.816 122.820 -0.581 0.000 2.568 1227 A HA 0.824 5.143 4.320 -0.002 0.000 0.291 1227 A C 0.648 177.901 177.584 -0.551 0.000 1.159 1227 A CA -0.037 51.661 52.037 -0.566 0.000 0.679 1227 A CB 0.261 18.861 19.000 -0.667 0.000 1.285 1227 A HN 2.612 nan 8.150 nan 0.000 0.428 1228 G N -1.388 107.287 108.800 -0.209 0.000 2.179 1228 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.220 1228 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.220 1228 G C -0.105 174.865 174.900 0.116 0.000 0.990 1228 G CA 0.225 45.396 45.100 0.117 0.000 0.646 1228 G HN 1.037 nan 8.290 nan 0.000 0.517 1229 I N 2.347 122.961 120.570 0.073 0.000 2.410 1229 I HA 0.437 4.605 4.170 -0.002 0.000 0.286 1229 I C 0.849 177.074 176.117 0.180 0.000 1.009 1229 I CA -0.167 61.188 61.300 0.092 0.000 1.111 1229 I CB 1.449 39.449 38.000 -0.001 0.000 1.262 1229 I HN 0.258 nan 8.210 nan 0.000 0.443 1230 T N 0.000 114.603 114.554 0.082 0.000 3.816 1230 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 1230 T CA 0.000 62.100 62.100 -0.000 0.000 1.349 1230 T CB 0.000 68.779 68.868 -0.149 0.000 0.612 1230 T HN 0.000 nan 8.240 nan 0.000 0.658